UCSF

ZINC16733816

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 36 No

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) 5.47 12.12 -59.48 0 7 -1 92 488.56 12
Mid Mid (pH 6-8) 5.91 11.51 -30.33 1 7 0 89 489.568 11
Mid Mid (pH 6-8) 4.88 12.55 -20.74 0 7 0 86 489.568 12

Activity (Go SEA)

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