UCSF

ZINC21520303

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 3.07 7.82 -123.69 4 2 2 32 248.414 3
Hi High (pH 8-9.5) 3.07 7.4 -27.57 3 2 1 30 247.406 3
Hi High (pH 8-9.5) 3.07 6.64 -45.1 3 2 1 31 247.406 3

Activity (Go SEA)

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