UCSF

ZINC37213730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 1.74 5.51 -104.69 3 3 2 24 269.355 7
Hi High (pH 8-9.5) 1.74 4.32 -35.47 2 3 1 20 268.347 7
Mid Mid (pH 6-8) 1.74 3.03 -41.65 2 3 1 23 268.347 7

Activity (Go SEA)

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