UCSF

ZINC37996778

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 2.55 7.06 -34.52 2 2 1 16 255.332 4
Mid Mid (pH 6-8) 2.55 6.02 -38.94 2 2 1 20 255.332 4

Activity (Go SEA)

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