UCSF

ZINC53704934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 0.12 5.84 -46.49 2 6 1 63 235.315 5
Hi High (pH 8-9.5) 0.12 4.48 -9.45 1 6 0 59 234.307 5

Activity (Go SEA)

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