UCSF

ZINC37988546

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 5.23 10.87 -42.12 2 1 1 17 337.306 5
Hi High (pH 8-9.5) 5.23 9.84 -2.74 1 1 0 12 336.298 5

Activity (Go SEA)

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