UCSF

ZINC05689594

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 24 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) 3.41 5.39 -7.92 3 4 0 68 371.409 4
Lo Low (pH 4.5-6) 3.41 5.64 -37.81 4 4 1 69 372.417 4

Activity (Go SEA)

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