UCSF

ZINC04301863

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 29 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) 2.65 10.69 -39.76 1 6 1 68 392.479 7
Lo Low (pH 4.5-6) 2.65 11.26 -101.07 2 6 2 69 393.487 7

Activity (Go SEA)

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