UCSF

ZINC09409251

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 34 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) 5.77 10.23 -15.32 2 7 0 88 463.578 11
Mid Mid (pH 6-8) 5.77 10.99 -55.42 1 7 -1 91 462.57 11

Activity (Go SEA)

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