UCSF

ZINC42252667

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 20 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) 3.89 7.34 -10.48 1 3 0 41 289.762 3
Hi High (pH 8-9.5) 3.89 8.22 -57.82 0 3 -1 43 288.754 3

Activity (Go SEA)

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