UCSF

ZINC11534562

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2008 22 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) 2.79 8.02 -15.68 1 4 0 46 301.296 4
Mid Mid (pH 6-8) 2.79 8.45 -36.1 2 4 1 48 302.304 4

Activity (Go SEA)

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