UCSF

ZINC12180604

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2008 29 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) 4.31 -7.04 -14.94 1 6 0 84 452.554 5
Hi High (pH 8-9.5) 4.31 -6.46 -52.11 0 6 -1 86 451.546 5

Activity (Go SEA)

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