UCSF

ZINC52266259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 17 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) 1.55 3.1 -43.5 2 4 -1 81 245.201 3
Hi High (pH 8-9.5) 1.55 2.76 -129.89 1 4 -2 83 244.193 3

Activity (Go SEA)

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