UCSF

ZINC43395218

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) -2.15 3.46 -65.35 2 7 -1 109 278.288 4
Mid Mid (pH 6-8) -2.15 3.82 -46.31 3 7 0 110 279.296 4

Activity (Go SEA)

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