UCSF

ZINC44648802

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 1.10 7.07 -49.18 3 6 1 76 280.739 5
Hi High (pH 8-9.5) 1.10 5.71 -8.91 2 6 0 72 279.731 5

Activity (Go SEA)

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