UCSF

ZINC20434155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.30 0.24 -42.45 4 5 1 75 291.249 4
Hi High (pH 8-9.5) 1.30 -1.06 -9.49 3 5 0 71 290.241 4

Activity (Go SEA)

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