UCSF

ZINC33492990

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 32 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) 3.91 12.02 -56.79 1 6 0 74 436.552 10
Lo Low (pH 4.5-6) 3.91 10.88 -51.33 2 6 1 71 437.56 10

Activity (Go SEA)

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