UCSF

ZINC20001635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 2.35 3.95 -54.9 4 4 1 74 291.396 5
Hi High (pH 8-9.5) 2.35 4 -74.98 3 4 0 76 290.388 5

Activity (Go SEA)

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