UCSF

ZINC44104545

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) 2.99 5.34 -41.59 2 4 1 44 252.334 7
Hi High (pH 8-9.5) 2.99 4.23 -5 1 4 0 40 251.326 7

Activity (Go SEA)

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