UCSF

ZINC31978897

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 0.30 0.92 -56.62 2 5 -1 89 238.263 5
Lo Low (pH 4.5-6) 0.30 -0.21 -16.47 3 5 0 87 239.271 5

Activity (Go SEA)

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