UCSF

ZINC36161904

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 No

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) -1.26 0.1 -46.06 4 6 1 102 255.323 2
Mid Mid (pH 6-8) -1.26 1.15 -14.55 3 6 0 100 254.315 2

Activity (Go SEA)

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