UCSF

ZINC06578126

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 33 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) 4.11 11.87 -15.87 0 7 0 82 442.471 5
Lo Low (pH 4.5-6) 4.11 12.31 -34.26 1 7 1 83 443.479 5

Activity (Go SEA)

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