UCSF

ZINC44720928

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 No

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) -1.58 -1.36 -47.96 3 6 1 81 217.245 7
Hi High (pH 8-9.5) -1.58 -2.62 -9.68 2 6 0 77 216.237 7
Mid Mid (pH 6-8) -1.39 -3.9 -41.11 2 6 0 88 216.237 7
Mid Mid (pH 6-8) -1.39 -3.9 -48.17 2 6 0 88 216.237 7

Activity (Go SEA)

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