UCSF

ZINC42900176

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 4.30 8.91 -51.9 3 2 1 37 343.244 4
Hi High (pH 8-9.5) 4.30 8.56 -8.18 2 2 0 35 342.236 4

Activity (Go SEA)

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