UCSF

ZINC04573521

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 24 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) 4.63 10.06 -6.83 1 5 0 75 348.83 4
Ref Reference (pH 7) 4.70 8.74 -41.59 2 5 1 80 349.838 4
Mid Mid (pH 6-8) 4.70 8.64 -5.51 1 5 0 78 348.83 4

Activity (Go SEA)

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