UCSF

ZINC36765322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 12 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) 0.65 5.19 -101.38 4 2 2 32 170.3 6
Hi High (pH 8-9.5) 0.65 3.09 -41.67 3 2 1 31 169.292 6
Hi High (pH 8-9.5) 0.65 4.81 -29.78 3 2 1 30 169.292 6

Activity (Go SEA)

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