UCSF

ZINC54602949

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 14 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) 0.65 5.27 -37.63 1 3 1 31 198.286 4
Mid Mid (pH 6-8) 0.65 3.43 -4.86 0 3 0 30 197.278 4

Activity (Go SEA)

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