UCSF

ZINC37040528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 Yes

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) 0.94 0.22 -47.94 5 4 1 77 209.269 4
Hi High (pH 8-9.5) 0.94 -0.11 -9.24 4 4 0 75 208.261 4

Activity (Go SEA)

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