UCSF

ZINC02385686

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 No

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) 1.19 3.83 -7.25 1 4 0 55 177.159 1
Ref Reference (pH 7) 1.95 0.98 -121.31 0 4 -2 72 175.143 1
Hi High (pH 8-9.5) 1.37 2.26 -7.29 0 4 0 62 176.151 1
Hi High (pH 8-9.5) 1.37 2.23 -39.32 0 4 -1 62 176.151 1
Mid Mid (pH 6-8) 1.95 0.19 -42.13 1 4 -1 69 176.151 1

Activity (Go SEA)

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

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