UCSF

ZINC43769750

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 29 Yes

CAS Number: 128312-51-6

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) 4.36 11.94 -60.86 1 5 -1 82 411.547 9
Lo Low (pH 4.5-6) 4.36 9.49 -10.52 2 5 0 79 412.555 9

Activity (Go SEA)

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