UCSF

ZINC41679934

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 0.30 3.4 -42.27 3 5 1 72 229.3 6
Hi High (pH 8-9.5) 0.30 2.03 -12.6 2 5 0 67 228.292 6

Activity (Go SEA)

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