UCSF

ZINC36807726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) -0.38 4.35 -28.77 4 6 0 109 279.34 6
Mid Mid (pH 6-8) -0.38 4.12 -50.47 3 6 -1 108 278.332 6

Activity (Go SEA)

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