UCSF

ZINC08443712

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 40 No

Other Names:

MFCD02174258

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) 7.02 -0.11 -27.71 2 5 0 71 561.732 10
Lo Low (pH 4.5-6) 7.02 -0.28 -41.77 3 5 1 72 562.74 10

Activity (Go SEA)

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