UCSF

ZINC37800895

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.72 2.27 -44.33 3 6 1 69 297.423 5
Hi High (pH 8-9.5) 0.72 1.01 -13.56 2 6 0 65 296.415 5
Mid Mid (pH 6-8) 0.72 4.4 -102.7 4 6 2 70 298.431 5

Activity (Go SEA)

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