UCSF

ZINC19959199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 14 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) 2.63 5.85 -35.62 2 2 1 16 278.239 6
Mid Mid (pH 6-8) 2.63 7.27 -108.94 3 2 2 21 279.247 6
Mid Mid (pH 6-8) 2.63 4.74 -44.73 2 2 1 20 278.239 6

Activity (Go SEA)

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