UCSF

ZINC04241948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 22 Yes

CAS Numbers: 943449-15-8 , [1213190-47-6]

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) 1.31 -2.37 -58.37 3 7 -1 122 307.326 7

Activity (Go SEA)

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