UCSF

ZINC42417093

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 13 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) -0.07 2.56 -57.26 1 4 -1 59 185.247 5
Lo Low (pH 4.5-6) -0.07 0.58 -27.38 2 4 0 56 186.255 5
Lo Low (pH 4.5-6) -0.07 5.18 -126.48 3 4 1 61 187.263 5
Lo Low (pH 4.5-6) -0.07 3.85 -57.11 2 4 0 57 186.255 5

Activity (Go SEA)

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