UCSF

ZINC08440404

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 34 Yes

Other Names:

MFCD03464111

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) 4.81 9.16 -38 1 7 1 69 499.682 7
Mid Mid (pH 6-8) 4.81 11.5 -108.6 2 7 2 70 500.69 7

Activity (Go SEA)

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