UCSF

ZINC44624802

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) -0.97 5.63 -44.15 2 5 0 77 214.265 7
Hi High (pH 8-9.5) -0.97 4.34 -42.9 1 5 -1 72 213.257 7

Activity (Go SEA)

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