UCSF

ZINC37335242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 3.87 9.89 -33.95 1 2 1 22 311.243 6
Hi High (pH 8-9.5) 3.87 7.94 -4.84 0 2 0 20 310.235 6

Activity (Go SEA)

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