UCSF

ZINC12004957

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 29 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) 0.98 -5.79 -50.14 1 8 1 92 415.495 3

Activity (Go SEA)

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