UCSF

ZINC04629171

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 14 Yes

Other Names:

MFCD02927384

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 -1.58 -7.5 2 4 0 61 193.25 1
Ref Reference (pH 7) 1.17 2.2 -14.02 2 4 0 58 193.25 0
Mid Mid (pH 6-8) 1.69 -0.07 -45.19 1 4 -1 64 192.242 1
Mid Mid (pH 6-8) 1.24 1.08 -20.99 2 4 0 61 193.25 1
Lo Low (pH 4.5-6) 1.69 -0.66 -31.65 3 4 1 63 194.258 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.