UCSF

ZINC14559784

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2008 16 Yes

CAS Number: [17910-09-7]

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) 4.54 8.45 -3.03 0 1 0 13 216.324 2

Activity (Go SEA)

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