UCSF

ZINC40187964

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 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) 4.13 11.05 -11.49 1 5 0 56 379.504 8
Mid Mid (pH 6-8) 4.13 11.6 -34.22 2 5 1 57 380.512 8

Activity (Go SEA)

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