UCSF

ZINC12695661

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 22 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) 2.71 8.6 -52.61 2 5 1 59 335.478 7
Hi High (pH 8-9.5) 2.71 6.12 -13.37 1 5 0 58 334.47 7

Activity (Go SEA)

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