UCSF

ZINC36876230

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) 0.74 3.48 -48.41 4 3 1 56 208.31 4
Mid Mid (pH 6-8) 0.74 3.9 -98.62 5 3 2 58 209.318 4
Mid Mid (pH 6-8) 0.74 3.88 -98.38 5 3 2 58 209.318 4

Activity (Go SEA)

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