UCSF

ZINC35219783

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 3.84 9.76 -128.35 4 2 2 32 288.479 3
Hi High (pH 8-9.5) 3.84 9.49 -33.7 3 2 1 30 287.471 3
Hi High (pH 8-9.5) 3.84 7.77 -42.81 3 2 1 31 287.471 3

Activity (Go SEA)

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