UCSF

ZINC43412021

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 3.65 8.49 -41.26 1 3 1 22 301.241 4
Hi High (pH 8-9.5) 3.65 6.16 -6.03 0 3 0 21 300.233 4

Activity (Go SEA)

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