UCSF

ZINC52254524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 18 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) 2.39 3.22 -43.57 1 4 -1 70 279.646 5
Hi High (pH 8-9.5) 2.39 3.98 -101.64 0 4 -2 72 278.638 5
Mid Mid (pH 6-8) 2.39 2.71 -7.38 2 4 0 67 280.654 5

Activity (Go SEA)

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