UCSF

ZINC45694723

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 1.57 8.21 -72.9 2 5 0 74 296.411 8
Lo Low (pH 4.5-6) 1.57 7.15 -42.05 3 5 1 71 297.419 8

Activity (Go SEA)

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