UCSF

ZINC36853507

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 No

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) -1.04 -1 -43.99 3 5 1 72 187.219 4
Hi High (pH 8-9.5) -1.04 -2.14 -8.53 2 5 0 67 186.211 4
Hi High (pH 8-9.5) -1.04 -2.1 -8.45 2 5 0 67 186.211 4
Mid Mid (pH 6-8) -0.86 -3.56 -37.66 2 5 0 78 186.211 4
Mid Mid (pH 6-8) -0.86 -3.6 -40.41 2 5 0 78 186.211 4

Activity (Go SEA)

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