UCSF

ZINC19795989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) -0.86 -0.16 -44.98 3 4 1 53 208.285 3
Lo Low (pH 4.5-6) -0.86 0.28 -85.99 4 4 2 54 209.293 3

Activity (Go SEA)

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