UCSF

ZINC08398000

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 33 No

Other Names:

MFCD01078424

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) 7.54 13.66 -10.02 1 5 0 64 499.419 7
Ref Reference (pH 7) 7.54 13.25 -9.75 1 5 0 64 499.419 7
Ref Reference (pH 7) 7.05 13.12 -42.76 0 5 -1 63 498.411 8

Activity (Go SEA)

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