UCSF

ZINC41043361

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 14 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) 0.57 2.37 -49.11 4 6 1 98 262.087 4
Hi High (pH 8-9.5) 0.57 1.99 -4.42 3 6 0 97 261.079 4

Activity (Go SEA)

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