UCSF

ZINC42608301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) 3.28 9.17 -56.05 1 3 0 45 229.364 10
Lo Low (pH 4.5-6) 3.28 7.19 -36.61 2 3 1 42 230.372 10

Activity (Go SEA)

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