UCSF

ZINC19434856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 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) 1.90 5.31 -101.14 4 3 2 35 255.45 4
Mid Mid (pH 6-8) 1.90 2.94 -44.59 3 3 1 34 254.442 4
Mid Mid (pH 6-8) 1.90 4.85 -125.5 4 3 2 35 255.45 4

Activity (Go SEA)

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