UCSF

ZINC37049695

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.07 -1.75 -43.17 5 5 1 77 257.402 6
Hi High (pH 8-9.5) -0.18 -1.21 -68.63 5 5 1 82 257.402 6
Lo Low (pH 4.5-6) 0.07 0.18 -104.75 6 5 2 78 258.41 6

Activity (Go SEA)

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