UCSF

ZINC33729428

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 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) 5.07 9.64 -48.63 0 8 -1 103 519.961 8
Mid Mid (pH 6-8) 4.62 12.08 -14.65 1 8 0 100 520.969 8

Activity (Go SEA)

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