UCSF

ZINC27795000

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 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) 4.62 10.34 -50.52 2 4 1 43 333.496 7
Hi High (pH 8-9.5) 4.62 8.07 -10.76 1 4 0 42 332.488 7

Activity (Go SEA)

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