UCSF

ZINC43248409

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 3.60 6.07 -37.93 3 2 1 31 269.478 7
Mid Mid (pH 6-8) 3.60 7.93 -29.66 3 2 1 30 269.478 7
Mid Mid (pH 6-8) 3.60 8.35 -112.51 4 2 2 32 270.486 7

Activity (Go SEA)

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