UCSF

ZINC27578889

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 24 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) 3.69 10.9 -36.05 1 3 1 21 318.444 3
Mid Mid (pH 6-8) 3.69 8.59 -6.99 0 3 0 19 317.436 3

Activity (Go SEA)

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