UCSF

ZINC19621228

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 13 Yes

CAS Numbers: 119285-06-2 , N/A

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) 0.09 0.64 -43 4 4 1 59 179.247 1
Hi High (pH 8-9.5) 0.09 -0.78 -7.8 3 4 0 54 178.239 1

Activity (Go SEA)

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