UCSF

ZINC19325121

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 19 Yes

Other Names:

MFCD00015236

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) 6.11 11.44 -29.59 1 2 1 8 271.513 14
Lo Low (pH 4.5-6) 6.11 13.82 -118.05 2 2 2 9 272.521 14

Activity (Go SEA)

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