UCSF

ZINC44727223

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 No

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) -0.65 0.04 -40.51 3 5 1 64 235.329 7
Mid Mid (pH 6-8) -0.65 -1.34 -9.31 2 5 0 60 234.321 7

Activity (Go SEA)

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