UCSF

ZINC49265786

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 16 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) 1.36 3.9 -40.88 3 4 1 55 229.344 9
Mid Mid (pH 6-8) 1.36 2.54 -8.21 2 4 0 50 228.336 9

Activity (Go SEA)

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