UCSF

ZINC55168762

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 29 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) 2.14 9.38 -24.92 1 7 0 85 393.443 9
Lo Low (pH 4.5-6) 2.14 9.84 -53.36 2 7 1 86 394.451 9

Activity (Go SEA)

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