UCSF

ZINC31745929

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 23 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) 1.18 0.78 -42.31 1 7 -1 96 324.263 6
Lo Low (pH 4.5-6) 0.72 1.6 -14.72 2 7 0 93 325.271 6

Activity (Go SEA)

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