UCSF

ZINC15018365

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 30 No

Other Names:

MFCD01466108

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) 7.80 15.7 -10.35 0 3 0 34 412.558 4
Ref Reference (pH 7) 7.80 14.21 -10.29 0 3 0 34 412.558 4
Lo Low (pH 4.5-6) 7.80 14.76 -24.97 1 3 1 36 413.566 4
Lo Low (pH 4.5-6) 7.80 16.08 -23.34 1 3 1 36 413.566 4

Activity (Go SEA)

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