UCSF

ZINC41682143

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.19 3.81 -85.51 4 5 2 53 272.437 7
Hi High (pH 8-9.5) 0.19 2.47 -39.61 3 5 1 49 271.429 7

Activity (Go SEA)

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