UCSF

ZINC34570132

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 4.24 9.22 -40.12 2 3 1 34 312.433 6
Hi High (pH 8-9.5) 4.24 7.05 -5.53 1 3 0 33 311.425 6

Activity (Go SEA)

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