UCSF

ZINC21983508

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 Yes

CAS Number: 42924-53-8

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) 3.40 8.29 -8.18 0 3 0 36 244.29 5

Activity (Go SEA)

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