UCSF

ZINC39370714

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 28 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) 6.08 11.86 -11.55 2 6 0 68 372.428 6
Mid Mid (pH 6-8) 6.08 11.93 -26.08 3 6 1 70 373.436 6

Activity (Go SEA)

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