UCSF

ZINC38093272

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 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) 2.58 7.57 -47.68 1 4 -1 69 264.345 6
Mid Mid (pH 6-8) 2.58 5.81 -13.46 2 4 0 66 265.353 6

Activity (Go SEA)

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