UCSF

ZINC20434316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 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) -0.27 0.99 -88.53 5 5 2 70 245.367 7
Hi High (pH 8-9.5) -0.27 -0.31 -44.19 4 5 1 66 244.359 7

Activity (Go SEA)

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