UCSF

ZINC21988796

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 Yes

CAS Numbers: 99282-79-8 , 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) 0.83 3.46 -106.8 1 5 -2 92 227.603 4

Activity (Go SEA)

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