UCSF

ZINC07423187

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 22 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) 5.01 12.41 -7.01 0 2 0 18 308.45 4
Mid Mid (pH 6-8) 5.01 12.85 -30.31 1 2 1 19 309.458 4

Activity (Go SEA)

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