UCSF

ZINC44949954

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 23 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) 2.28 7.67 -45.32 2 6 1 61 317.413 6
Hi High (pH 8-9.5) 2.28 5.83 -12.88 1 6 0 59 316.405 6

Activity (Go SEA)

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