UCSF

ZINC12140837

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 31 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) 5.61 12.66 -43.38 1 5 1 47 442.511 6
Hi High (pH 8-9.5) 5.61 10.17 -10.56 0 5 0 46 441.503 6

Activity (Go SEA)

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