UCSF

ZINC40024168

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 17 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) 2.15 8.94 -37.9 1 3 1 22 230.335 5
Hi High (pH 8-9.5) 2.15 6.81 -6.3 0 3 0 21 229.327 5

Activity (Go SEA)

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