UCSF

ZINC38363875

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2010 15 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) -2.00 -7.31 -44.16 6 6 1 106 219.261 4
Mid Mid (pH 6-8) -2.00 -8.91 -12.97 5 6 0 102 218.253 4

Activity (Go SEA)

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