UCSF

ZINC19811490

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) -0.09 2.72 -49.41 3 4 1 49 212.317 1
Mid Mid (pH 6-8) -0.09 1.57 -35.14 3 4 1 46 212.317 1
Lo Low (pH 4.5-6) -0.09 2.96 -116.65 4 4 2 50 213.325 1

Activity (Go SEA)

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