UCSF

ZINC03998529

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 19 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) 3.46 10.35 -34.77 1 2 1 8 257.401 2
Hi High (pH 8-9.5) 3.46 8.92 -2.18 0 2 0 6 256.393 2

Activity (Go SEA)

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