UCSF

ZINC19973927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 30 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) 1.54 4.03 -62.54 0 8 -1 95 411.434 7
Mid Mid (pH 6-8) 1.54 6.38 -74.08 1 8 0 96 412.442 7
Lo Low (pH 4.5-6) 1.54 5.55 -54.15 2 8 1 94 413.45 7

Activity (Go SEA)

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