UCSF

ZINC20721439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 26 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) 3.95 6.43 -11.14 2 5 0 71 385.876 4
Hi High (pH 8-9.5) 3.85 6.83 -46.96 0 5 -1 69 384.868 4
Mid Mid (pH 6-8) 3.95 6.44 -8.4 2 5 0 71 385.876 4
Mid Mid (pH 6-8) 3.77 8.88 -9.01 2 5 0 67 385.876 4

Activity (Go SEA)

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