UCSF

ZINC36748929

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 1.02 5.38 -40.84 3 5 1 52 238.359 3
Mid Mid (pH 6-8) 1.02 3.29 -24.32 3 5 1 52 238.359 3
Mid Mid (pH 6-8) 1.02 3.17 -4.53 2 5 0 50 237.351 3
Mid Mid (pH 6-8) 1.02 5.5 -81.55 4 5 2 53 239.367 3

Activity (Go SEA)

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