UCSF

ZINC37818206

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -1.47 4.23 -13.52 2 5 0 67 275.352 4
Mid Mid (pH 6-8) -1.47 4.57 -43.82 3 5 1 68 276.36 4

Activity (Go SEA)

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