UCSF

ZINC37324706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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 6.1 -136.68 4 4 2 51 345.281 7
Mid Mid (pH 6-8) 3.11 4.78 -54.09 3 4 1 49 344.273 7
Mid Mid (pH 6-8) 3.11 5.66 -36.41 3 4 1 49 344.273 7

Activity (Go SEA)

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