UCSF

ZINC66092928

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 25 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) 1.72 10.12 -51.77 1 7 1 77 355.455 8
Mid Mid (pH 6-8) 1.72 7.93 -15.68 0 7 0 76 354.447 8

Activity (Go SEA)

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