UCSF

ZINC47958731

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 17 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) 0.60 4.08 -34.79 2 4 1 42 246.281 4
Mid Mid (pH 6-8) 0.60 1.97 -7.91 1 4 0 41 245.273 4

Activity (Go SEA)

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