UCSF

ZINC08969239

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 23 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) 0.64 3.46 -49.5 2 7 -1 103 319.337 5
Mid Mid (pH 6-8) 1.49 1.68 -13.74 3 7 0 105 320.345 5

Activity (Go SEA)

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