UCSF

ZINC12435876

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 28 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) 0.95 9.38 -44.51 1 7 1 77 383.472 7
Lo Low (pH 4.5-6) 0.95 9.66 -103.09 2 7 2 78 384.48 7

Activity (Go SEA)

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