UCSF

ZINC34830032

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 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) 3.80 15.4 -54.92 1 6 1 54 504.676 8
Mid Mid (pH 6-8) 3.80 13.62 -18.41 0 6 0 53 503.668 8

Activity (Go SEA)

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