UCSF

ZINC36775754

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.09 6.61 -131.85 4 3 2 45 265.445 8
Hi High (pH 8-9.5) 2.09 4.88 -50.98 3 3 1 44 264.437 8
Hi High (pH 8-9.5) 2.09 6.62 -34.14 3 3 1 43 264.437 8

Activity (Go SEA)

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