UCSF

ZINC37044726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.18 -0.9 -52.33 5 6 1 103 290.34 5
Hi High (pH 8-9.5) 0.18 -1.01 -51.02 3 6 -1 103 288.324 5
Mid Mid (pH 6-8) 0.18 -0.71 -74.36 4 6 0 105 289.332 5

Activity (Go SEA)

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