UCSF

ZINC04342826

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 17 Yes

CAS Numbers: 39455-15-7 , 54-25-1

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) -2.30 -10.49 -15.84 4 9 0 137 245.191 2

Activity (Go SEA)

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