UCSF

ZINC12404854

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 18 Yes

Other Names:

MFCD05174703

QA-5660

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) 3.09 4.02 -47.16 0 3 -1 45 254.187 3

Activity (Go SEA)

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