UCSF

ZINC13008699

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 33 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) 3.28 8.86 -48.41 3 7 1 82 446.575 5
Mid Mid (pH 6-8) 3.28 6.77 -20.83 2 7 0 81 445.567 5
Lo Low (pH 4.5-6) 3.28 9.85 -77.27 4 7 2 84 447.583 5

Activity (Go SEA)

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