UCSF

ZINC49474723

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 0.42 8.78 -63 2 5 0 74 290.363 5
Hi High (pH 8-9.5) 0.42 6.39 -50.06 1 5 -1 72 289.355 5

Activity (Go SEA)

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