UCSF

ZINC27644917

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 23 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) 5.89 10.52 -47.27 3 1 1 28 314.537 4

Activity (Go SEA)

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