UCSF

ZINC36750134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 21 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) 3.41 5.19 -53.27 3 3 1 50 287.289 3
Mid Mid (pH 6-8) 3.41 4.77 -8.02 2 3 0 48 286.281 3

Activity (Go SEA)

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