UCSF

ZINC06819614

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2006 27 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) 5.74 8.22 -43.55 0 5 -1 70 378.408 3
Hi High (pH 8-9.5) 5.74 7.53 -45.38 0 5 -1 70 378.408 3
Mid Mid (pH 6-8) 5.29 9.77 -8.76 1 5 0 67 379.416 3
Mid Mid (pH 6-8) 5.29 9.35 -9.14 1 5 0 67 379.416 3

Activity (Go SEA)

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