UCSF

ZINC00517451

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 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) 1.18 0.89 -7.05 1 3 0 42 167.208 2
Lo Low (pH 4.5-6) 1.18 1.16 -31.04 2 3 1 44 168.216 2

Activity (Go SEA)

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