UCSF

ZINC38400080

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2010 31 No

CAS Number: [12738-64-6]

Other Names:

MFCD00047542

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) -1.32 -8.87 -15.55 7 12 0 196 446.405 8

Activity (Go SEA)

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