UCSF

ZINC00164973

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

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) 1.38 1.4 -54.8 1 5 -1 77 242.305 3
Mid Mid (pH 6-8) 1.38 1.35 -13.34 2 5 0 75 243.313 3
Mid Mid (pH 6-8) 1.38 1.65 -34.73 3 5 1 76 244.321 3
Mid Mid (pH 6-8) 1.56 1.6 -40.88 1 5 -1 76 242.305 2

Activity (Go SEA)

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

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