UCSF

ZINC41684386

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.59 -2.27 -36.62 2 8 -1 124 254.222 6
Hi High (pH 8-9.5) -0.59 -3.26 -48.89 2 8 -1 124 254.222 6
Mid Mid (pH 6-8) -1.05 -0.51 -16.32 3 8 0 121 255.23 6

Activity (Go SEA)

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