UCSF

ZINC29037848

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 25 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 5.89 -16.77 3 6 0 86 331.379 3
Lo Low (pH 4.5-6) 3.28 6.28 -39.68 4 6 1 87 332.387 3

Activity (Go SEA)

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