UCSF

ZINC37988413

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) 1.28 3.18 -45.14 3 3 1 50 235.332 4
Mid Mid (pH 6-8) 1.28 1.82 -6.65 2 3 0 45 234.324 4

Activity (Go SEA)

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