UCSF

ZINC05045157

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 28 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) 1.51 6.2 -42.48 0 7 -1 92 381.408 7
Mid Mid (pH 6-8) 1.95 4.63 -25.83 1 7 0 89 382.416 6
Mid Mid (pH 6-8) 0.92 5.61 -22.42 0 7 0 86 382.416 7
Lo Low (pH 4.5-6) 1.51 5.24 -43.89 2 7 1 90 383.424 7
Lo Low (pH 4.5-6) 0.92 5.9 -55.42 1 7 1 87 383.424 7

Activity (Go SEA)

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