UCSF

ZINC24391782

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 28 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) 3.02 12.73 -13.68 0 5 0 44 383.536 5
Lo Low (pH 4.5-6) 3.02 12.33 -30.5 1 5 1 45 384.544 5

Activity (Go SEA)

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