UCSF

ZINC19429383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) -0.91 2.98 -36.85 2 5 1 51 223.3 2
Mid Mid (pH 6-8) -0.91 3.92 -55.44 2 5 1 55 223.3 2
Mid Mid (pH 6-8) -0.91 4.35 -102.25 3 5 2 56 224.308 2
Mid Mid (pH 6-8) -0.91 2.55 -10.62 1 5 0 50 222.292 2

Activity (Go SEA)

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