UCSF

ZINC13493679

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 24 Yes

CAS Number: 479413-68-8

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) 5.48 9.5 -52.65 2 5 -1 81 339.5 13

Activity (Go SEA)

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