UCSF

ZINC01731794

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 9 Yes

CAS Numbers: 114818-26-7 , 57471-69-9

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) -1.31 -7.74 -39.06 7 5 1 113 132.143 3

Activity (Go SEA)

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