UCSF

ZINC45168575

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 24 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) 3.95 5.17 -125.37 6 4 2 74 328.456 6
Hi High (pH 8-9.5) 3.95 4.07 -37.72 5 4 1 69 327.448 6

Activity (Go SEA)

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