UCSF

ZINC19727547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 1.58 4.39 -32.29 2 3 1 28 213.345 2
Mid Mid (pH 6-8) 1.58 1.92 -2.89 1 3 0 27 212.337 2
Mid Mid (pH 6-8) 1.58 3.65 -30.25 2 3 1 28 213.345 2

Activity (Go SEA)

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