UCSF

ZINC28005530

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 26 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) 4.45 9.68 -16.61 0 3 0 47 359.45 3
Lo Low (pH 4.5-6) 4.45 9.96 -31.89 1 3 1 48 360.458 3

Activity (Go SEA)

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