UCSF

ZINC42166112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 15 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) 0.90 3.72 -87.17 4 4 2 54 213.325 2
Hi High (pH 8-9.5) 0.90 2.37 -33.67 3 4 1 49 212.317 2

Activity (Go SEA)

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