UCSF

ZINC41726585

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 13 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) 0.20 3.44 -38.99 4 2 1 43 179.287 0
Hi High (pH 8-9.5) 0.20 3.13 -3.85 3 2 0 42 178.279 0

Activity (Go SEA)

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