UCSF

ZINC19938428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 36 No

Other Names:

MFCD03861505

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) 3.19 8.41 -62.17 0 8 -1 89 488.564 8
Mid Mid (pH 6-8) 3.19 10.74 -74.08 1 8 0 90 489.572 8

Activity (Go SEA)

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