UCSF

ZINC34687189

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 4.08 10.6 -9.51 0 4 0 33 418.94 7
Lo Low (pH 4.5-6) 4.08 12.84 -40.52 1 4 1 34 419.948 7

Activity (Go SEA)

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