UCSF

ZINC35797574

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 21 Yes

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) 0.17 -1.27 -26.7 3 7 0 104 330.435 6
Lo Low (pH 4.5-6) 0.17 0.13 -73.31 4 7 1 109 331.443 6

Activity (Go SEA)

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