UCSF

ZINC33727336

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 29 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) 4.87 12.29 -22.62 1 6 0 86 381.439 5
Lo Low (pH 4.5-6) 4.87 12.7 -41.28 2 6 1 87 382.447 5

Activity (Go SEA)

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