UCSF

ZINC34594389

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 3.23 12.24 -52.55 1 5 1 56 400.499 5
Hi High (pH 8-9.5) 3.23 10 -16.68 0 5 0 55 399.491 5
Mid Mid (pH 6-8) 3.23 12.64 -105.68 2 5 2 57 401.507 5

Activity (Go SEA)

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