UCSF

ZINC37080146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 3.66 7.8 -105.32 3 2 2 21 224.392 4
Hi High (pH 8-9.5) 3.66 5.86 -33.1 2 2 1 20 223.384 4
Hi High (pH 8-9.5) 3.66 6.56 -31.51 2 2 1 16 223.384 4

Activity (Go SEA)

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