UCSF

ZINC04156026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 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) 3.69 -0.49 -11.49 1 5 0 64 334.441 9
Mid Mid (pH 6-8) 3.69 -0.24 -35.86 2 5 1 65 335.449 9

Activity (Go SEA)

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