UCSF

ZINC21815371

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.31 8.64 -5.61 1 1 0 12 297.295 6
Lo Low (pH 4.5-6) 4.31 10.05 -50.64 2 1 1 17 298.303 6

Activity (Go SEA)

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