UCSF

ZINC08716765

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 18 Yes

CAS Number: 4797-43-7

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) 3.51 5.31 -13.78 1 3 0 46 256.692 1
Hi High (pH 8-9.5) 3.97 3.38 -54.26 0 3 -1 49 255.684 1

Activity (Go SEA)

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