UCSF

ZINC41725296

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 0.01 5.89 -39.7 3 3 1 42 237.367 5
Hi High (pH 8-9.5) 0.01 5.57 -6.21 2 3 0 40 236.359 5

Activity (Go SEA)

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