UCSF

ZINC48045065

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 21 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) 2.96 8.78 -39.57 1 4 1 47 289.399 9
Mid Mid (pH 6-8) 2.96 6.81 -6.22 0 4 0 45 288.391 9

Activity (Go SEA)

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