UCSF

ZINC42772851

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 2.26 8.13 -46.94 2 5 1 45 291.419 7
Hi High (pH 8-9.5) 2.26 5.65 -9.74 1 5 0 44 290.411 7
Mid Mid (pH 6-8) 2.26 8.87 -79.13 3 5 2 46 292.427 7

Activity (Go SEA)

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