UCSF

ZINC34466221

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 31 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) 6.99 12.78 -6.47 1 2 0 33 411.52 6
Lo Low (pH 4.5-6) 6.99 13.15 -29.64 2 2 1 34 412.528 6

Activity (Go SEA)

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