UCSF

ZINC20024417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 16 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) 1.64 -1.44 -14.38 4 5 0 92 244.316 5
Hi High (pH 8-9.5) 1.64 -0.99 -44.44 3 5 -1 95 243.308 5

Activity (Go SEA)

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