UCSF

ZINC11615712

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 17 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) 2.25 -3.02 -13.77 1 5 0 72 269.351 3
Hi High (pH 8-9.5) 2.25 -2.45 -42.19 0 5 -1 74 268.343 3

Activity (Go SEA)

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