UCSF

ZINC20500181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 25 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) 3.73 11.1 -37.69 1 3 1 17 337.487 6
Mid Mid (pH 6-8) 3.73 11.09 -36.13 1 3 1 17 337.487 6
Mid Mid (pH 6-8) 3.73 8.72 -5.44 0 3 0 16 336.479 6

Activity (Go SEA)

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