UCSF

ZINC12667747

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 28 No

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) 1.39 9.03 -23.26 1 7 0 84 376.416 6
Mid Mid (pH 6-8) 1.39 9.47 -41.59 2 7 1 85 377.424 6

Activity (Go SEA)

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