UCSF

ZINC42860495

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 13 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) 0.26 3.03 -95.46 4 3 2 45 201.339 6
Mid Mid (pH 6-8) 0.26 0.7 -44.14 3 3 1 44 200.331 6

Activity (Go SEA)

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