UCSF

ZINC40105702

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 21 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) 2.82 5.68 -40.57 2 4 1 51 333.836 3
Hi High (pH 8-9.5) 2.82 3.56 -6.45 1 4 0 49 332.828 3
Hi High (pH 8-9.5) 2.82 5.46 -33.95 1 4 0 53 332.828 3

Activity (Go SEA)

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