UCSF

ZINC36633856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 21 No

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) 0.40 5.5 -42.64 1 5 1 45 292.334 2
Mid Mid (pH 6-8) 0.40 3.39 -10.94 0 5 0 44 291.326 2
Mid Mid (pH 6-8) 0.40 5.58 -48.43 1 5 1 45 292.334 2
Mid Mid (pH 6-8) 0.40 3.13 -11.23 0 5 0 44 291.326 2

Activity (Go SEA)

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