UCSF

ZINC40191846

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.00 16.12 -13.57 1 6 0 65 511.666 14
Mid Mid (pH 6-8) 6.00 16.67 -37.1 2 6 1 67 512.674 14

Activity (Go SEA)

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