UCSF

ZINC04156524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 33 No

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) 7.20 4.21 -13.28 1 5 0 55 470.057 9
Mid Mid (pH 6-8) 7.20 4.44 -25.85 2 5 1 56 471.065 9

Activity (Go SEA)

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