UCSF

ZINC12659961

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 32 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) 3.90 13.67 -52.01 1 5 1 49 440.604 4

Activity (Go SEA)

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