UCSF

ZINC39964157

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 30 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 14.69 -14.98 1 6 0 67 396.45 4
Mid Mid (pH 6-8) 3.69 15.16 -36.67 2 6 1 68 397.458 4

Activity (Go SEA)

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