UCSF

ZINC69836197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.47 6.4 -10.44 1 4 0 47 286.306 3
Mid Mid (pH 6-8) 3.47 6.89 -29.74 2 4 1 49 287.314 3

Activity (Go SEA)

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