UCSF

ZINC42433841

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) -0.85 -2.71 -50.85 1 7 -1 98 252.25 3
Lo Low (pH 4.5-6) -0.85 -3.43 -16.47 2 7 0 96 253.258 3

Activity (Go SEA)

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