UCSF

ZINC35246504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 19 Yes

CAS Number: 861881-24-5

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) 2.65 7.7 -36.88 3 3 1 34 276.326 6

Activity (Go SEA)

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