UCSF

ZINC44509993

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 1.91 2.7 -14.98 1 5 0 86 243.313 2
Mid Mid (pH 6-8) 0.98 2.1 -46.03 0 5 -1 85 242.305 3

Activity (Go SEA)

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