UCSF

ZINC42880159

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 1.84 2.27 -39.57 3 5 1 55 265.333 4
Hi High (pH 8-9.5) 1.84 1.56 -35.33 2 5 0 61 264.325 4
Mid Mid (pH 6-8) 1.84 0.9 -49.8 3 5 1 59 265.333 4

Activity (Go SEA)

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