UCSF

ZINC36787224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 3.39 9.08 -124.2 4 2 2 32 276.468 4
Hi High (pH 8-9.5) 3.39 6.96 -42.38 3 2 1 31 275.46 4
Hi High (pH 8-9.5) 3.39 9 -31.39 3 2 1 30 275.46 4

Activity (Go SEA)

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