UCSF

ZINC08838035

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 37 No

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) 4.87 14.75 -79.85 1 6 0 74 502.586 10
Mid Mid (pH 6-8) 4.29 2.56 -48.93 1 6 1 68 503.594 10

Activity (Go SEA)

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