UCSF

ZINC43253350

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 2.91 5.43 -93.95 4 3 2 35 317.93 4
Hi High (pH 8-9.5) 2.91 3.29 -43.88 3 3 1 34 316.922 4
Hi High (pH 8-9.5) 2.91 2.97 -1.7 2 3 0 32 315.914 4

Activity (Go SEA)

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