UCSF

ZINC19570777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 25 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) 2.69 7.01 -37.25 2 5 1 46 346.495 6
Hi High (pH 8-9.5) 2.69 4.55 -8.46 1 5 0 45 345.487 6
Mid Mid (pH 6-8) 2.69 7.01 -39.25 2 5 1 46 346.495 6

Activity (Go SEA)

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