UCSF

ZINC37988391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 1.30 3.18 -46.07 3 3 1 50 235.332 4
Hi High (pH 8-9.5) 1.30 1.82 -6.73 2 3 0 45 234.324 4

Activity (Go SEA)

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