UCSF

ZINC43191028

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 20 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) 1.72 3.15 -46.78 2 7 -1 115 283.304 8
Hi High (pH 8-9.5) 1.58 0.59 -92.57 1 7 -2 122 282.296 8
Hi High (pH 8-9.5) 1.02 0.65 -92.22 1 7 -2 122 282.296 8
Lo Low (pH 4.5-6) 1.72 1.17 -9.8 3 7 0 113 284.312 8

Activity (Go SEA)

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