UCSF

ZINC08454409

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2006 28 Yes

Other Names:

MFCD02056522

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) 5.05 8.35 -12.91 2 5 0 59 479.728 5
Mid Mid (pH 6-8) 5.23 8.85 -34.91 3 5 1 64 480.736 5

Activity (Go SEA)

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