UCSF

ZINC33422746

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 39 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) 5.08 14.45 -74.64 1 8 0 96 534.653 14
Lo Low (pH 4.5-6) 5.08 13.49 -48.79 2 8 1 94 535.661 14

Activity (Go SEA)

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