UCSF

ZINC03051377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 27 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) 3.35 7.88 -13.98 1 5 0 62 363.461 6
Lo Low (pH 4.5-6) 3.35 8.75 -33.74 2 5 1 63 364.469 6

Activity (Go SEA)

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