UCSF

ZINC29517286

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 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) 2.33 8.29 -19.77 1 5 0 62 367.493 4
Lo Low (pH 4.5-6) 2.33 8.69 -45.12 2 5 1 64 368.501 4

Activity (Go SEA)

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