UCSF

ZINC41363640

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 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) 0.49 4.64 -37.07 1 4 1 28 226.344 2
Mid Mid (pH 6-8) 0.49 4.45 -36.34 1 4 1 28 226.344 2
Mid Mid (pH 6-8) 0.49 2.25 -7.8 0 4 0 27 225.336 2

Activity (Go SEA)

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