UCSF

ZINC14986265

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 33 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) 2.92 9.35 -15.64 0 7 0 62 469.948 5
Mid Mid (pH 6-8) 2.92 9.87 -40.73 1 7 1 63 470.956 5
Mid Mid (pH 6-8) 2.92 9.84 -43.42 1 7 1 63 470.956 5

Activity (Go SEA)

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