UCSF

ZINC44095756

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 18 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) 2.74 4.9 -41.17 2 4 1 44 252.334 5
Hi High (pH 8-9.5) 2.74 3.8 -5.01 1 4 0 40 251.326 5

Activity (Go SEA)

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