UCSF

ZINC12585312

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 28 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) 3.43 5.78 -13.15 2 6 0 85 408.495 9
Hi High (pH 8-9.5) 3.43 5.87 -38.56 1 6 -1 87 407.487 9

Activity (Go SEA)

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