UCSF

ZINC33544972

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 27 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) 1.39 8.74 -78.31 1 7 0 91 370.405 8
Mid Mid (pH 6-8) 1.39 7.79 -50.84 2 7 1 88 371.413 8

Activity (Go SEA)

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