UCSF

ZINC01010045

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 28 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) 5.04 10.52 -12.48 1 4 0 66 425.863 5
Lo Low (pH 4.5-6) 5.04 10.73 -46.23 2 4 1 67 426.871 5

Activity (Go SEA)

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