UCSF

ZINC12954449

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 19 Yes

CAS Number: 5354-94-9

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) -1.06 6.47 -67.98 3 6 0 99 259.265 5
Mid Mid (pH 6-8) -1.06 6.45 -61.51 2 6 -1 98 258.257 5

Activity (Go SEA)

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