UCSF

ZINC34687126

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 3.86 10.77 -11.52 0 5 0 46 476.47 8
Lo Low (pH 4.5-6) 3.86 13.02 -62.46 1 5 1 47 477.478 8

Activity (Go SEA)

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