UCSF

ZINC19901380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 22 No

Other Names:

MFCD02303192

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) 5.88 9.36 -7.9 1 3 0 45 373.275 2
Ref Reference (pH 7) 5.88 9.78 -8.22 1 3 0 45 373.275 2

Activity (Go SEA)

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