UCSF

ZINC39103442

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) 1.32 2.35 -33.59 2 2 1 20 157.281 1
Mid Mid (pH 6-8) 1.32 3.38 -26.73 2 2 1 16 157.281 1
Mid Mid (pH 6-8) 1.32 4.5 -101.86 3 2 2 21 158.289 1

Activity (Go SEA)

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