UCSF

ZINC04544569

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 22 No

CAS Number: [6535-42-8]

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) 5.45 6.66 -8.82 1 4 0 54 292.338 4
Ref Reference (pH 7) 4.27 8.66 -10.74 1 4 0 51 292.338 4
Ref Reference (pH 7) 4.27 8.62 -10.79 1 4 0 51 292.338 4
Hi High (pH 8-9.5) 5.45 6.19 -40.02 0 4 -1 57 291.33 4
Hi High (pH 8-9.5) 5.45 7.44 -42.43 0 4 -1 57 291.33 4
Mid Mid (pH 6-8) 5.45 6.19 -41.86 0 4 -1 57 291.33 4

Activity (Go SEA)

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