UCSF

ZINC34679391

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 20 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) 1.71 8.88 -102.59 4 2 2 32 270.42 5
Hi High (pH 8-9.5) 1.71 7.49 -39.31 3 2 1 31 269.412 5
Hi High (pH 8-9.5) 1.71 7.55 -1.57 2 2 0 29 268.404 5
Mid Mid (pH 6-8) 1.71 8.56 -27.4 3 2 1 30 269.412 5

Activity (Go SEA)

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