UCSF

ZINC08440779

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 36 No

Other Names:

MFCD02604983

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) 6.14 3.53 -14.68 1 6 0 113 478.596 5
Mid Mid (pH 6-8) 6.14 3.36 -47.14 2 6 1 115 479.604 5

Activity (Go SEA)

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