UCSF

ZINC00510100

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 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) 0.15 0.8 -9.9 3 6 0 95 245.238 3
Hi High (pH 8-9.5) 0.61 -1.95 -44.67 2 6 -1 98 244.23 3

Activity (Go SEA)

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