UCSF

ZINC25365771

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 20 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) 4.53 6.35 -35.38 0 3 -1 48 333.191 3
Mid Mid (pH 6-8) 4.53 6.28 -8.55 1 3 0 46 334.199 3

Activity (Go SEA)

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