UCSF

ZINC22055498

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 Yes

CAS Number: 1446-61-3

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) 5.02 9.73 -48.64 3 1 1 28 286.483 3

Activity (Go SEA)

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