UCSF

ZINC12659789

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 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) 3.47 11.77 -43.87 2 4 1 52 384.54 6

Activity (Go SEA)

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