UCSF

ZINC40009448

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 23 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) 3.11 7.41 -52.91 2 4 1 44 318.368 5
Hi High (pH 8-9.5) 3.11 6.3 -9.17 1 4 0 40 317.36 5

Activity (Go SEA)

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