UCSF

ZINC34581211

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 1.74 4.76 -43.47 3 5 1 64 293.387 7
Hi High (pH 8-9.5) 1.74 3.35 -10.54 2 5 0 60 292.379 7

Activity (Go SEA)

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