UCSF

ZINC15163294

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2008 30 No

Other Names:

MFCD01243062

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) 3.62 7.23 -7.12 2 5 0 101 411.431 4
Mid Mid (pH 6-8) 3.70 8.68 -103.33 3 5 2 101 413.447 4
Lo Low (pH 4.5-6) 3.62 7.05 -47.95 3 5 1 102 412.439 4

Activity (Go SEA)

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