UCSF

ZINC35609674

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 19 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) 1.91 3.02 -8.12 1 4 0 44 270.417 6
Lo Low (pH 4.5-6) 1.91 5.32 -40.64 2 4 1 45 271.425 6

Activity (Go SEA)

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