UCSF

ZINC43425613

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 0.86 0.02 -6.46 3 5 0 71 227.308 3
Mid Mid (pH 6-8) 0.86 2.22 -39.2 4 5 1 72 228.316 3

Activity (Go SEA)

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