UCSF

ZINC33714347

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 17 Yes

Other Names:

MFCD13152442

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) 4.67 8.92 -5.23 0 1 0 13 239.705 1
Lo Low (pH 4.5-6) 4.67 9.35 -38.23 1 1 1 14 240.713 1

Activity (Go SEA)

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