UCSF

ZINC30908707

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 22 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) 1.42 6.07 -44.71 2 5 1 53 302.398 5
Hi High (pH 8-9.5) 1.42 4.68 -8.97 1 5 0 48 301.39 5

Activity (Go SEA)

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