UCSF

ZINC37110074

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.65 7.02 -119.23 4 2 2 32 220.36 3
Hi High (pH 8-9.5) 0.64 5.06 -2.17 2 2 0 29 218.344 3
Mid Mid (pH 6-8) 0.65 6.7 -31.71 3 2 1 30 219.352 3
Mid Mid (pH 6-8) 0.65 5.4 -37.92 3 2 1 31 219.352 3

Activity (Go SEA)

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