UCSF

ZINC71250611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2011 19 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) -2.30 -4.92 -12.45 6 9 0 145 266.261 2
Mid Mid (pH 6-8) -2.30 -4.59 -45.99 7 9 1 147 267.269 2

Activity (Go SEA)

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