UCSF

ZINC28762658

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 20 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) -1.85 -3.22 -43.83 4 9 1 123 285.28 4
Mid Mid (pH 6-8) -1.85 -3.07 -47.31 4 9 1 123 285.28 4
Mid Mid (pH 6-8) -1.85 -5.19 -13.15 3 9 0 122 284.272 4
Lo Low (pH 4.5-6) -1.85 -1.09 -120.77 5 9 2 124 286.288 4

Activity (Go SEA)

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