UCSF

ZINC19834397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) -1.01 -0.34 -48.72 5 5 1 87 209.273 5
Lo Low (pH 4.5-6) -1.01 0.08 -96.47 6 5 2 88 210.281 5

Activity (Go SEA)

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