UCSF

ZINC70513356

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.26 3.96 -73.74 4 4 2 45 285.476 8
Mid Mid (pH 6-8) 1.26 6.2 -163.68 5 4 3 46 286.484 8
Mid Mid (pH 6-8) 1.26 3.59 -90 4 4 2 45 285.476 8

Activity (Go SEA)

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