UCSF

ZINC42102805

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 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) 1.36 5.41 -10.49 0 5 0 61 268.272 3
Lo Low (pH 4.5-6) 1.36 5.78 -42.83 1 5 1 62 269.28 3

Activity (Go SEA)

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