UCSF

ZINC19939807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 24 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) -0.45 3.25 -56.26 3 8 0 108 335.36 6
Hi High (pH 8-9.5) -0.45 -1.24 -53.56 2 8 -1 107 334.352 6
Mid Mid (pH 6-8) 0.40 -0.99 -13.68 3 8 0 108 335.36 6

Activity (Go SEA)

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