UCSF

ZINC37228721

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.46 5.91 -39.12 2 3 1 33 262.421 5
Mid Mid (pH 6-8) 2.46 8.27 -118.49 3 3 2 34 263.429 5
Mid Mid (pH 6-8) 2.46 7.93 -36.75 2 3 1 29 262.421 5
Mid Mid (pH 6-8) 2.46 8.31 -76.92 3 3 2 31 263.429 5
Lo Low (pH 4.5-6) 2.46 8.66 -189.76 4 3 3 35 264.437 5

Activity (Go SEA)

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