UCSF

ZINC27662839

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 28 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) 4.75 9.03 -41.83 2 5 1 50 449.413 4
Hi High (pH 8-9.5) 4.75 6.55 -5.44 1 5 0 49 448.405 4
Mid Mid (pH 6-8) 4.75 8.8 -39.47 2 5 1 50 449.413 4

Activity (Go SEA)

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