UCSF

ZINC15443417

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 17 Yes

Other Names:

MFCD08457022

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) 4.02 8.34 -7.16 0 1 0 13 223.25 1
Lo Low (pH 4.5-6) 4.02 8.62 -33.67 1 1 1 14 224.258 1

Activity (Go SEA)

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