UCSF

ZINC44679487

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 14 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) 0.67 4.11 -79.38 4 3 2 33 199.342 6
Hi High (pH 8-9.5) 0.67 3.86 -105.84 4 3 2 33 199.342 6
Hi High (pH 8-9.5) 0.67 2.9 -105.51 4 3 2 36 199.342 6
Hi High (pH 8-9.5) 0.67 1.46 -38.58 3 3 1 32 198.334 6
Hi High (pH 8-9.5) 0.67 0.27 -1.54 2 3 0 27 197.326 6

Activity (Go SEA)

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