UCSF

ZINC41227605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 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) 1.79 5.35 -44 3 3 1 49 215.276 2
Hi High (pH 8-9.5) 1.79 4.16 -16.23 2 3 0 45 214.268 2

Activity (Go SEA)

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