UCSF

ZINC52898336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 16 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) 1.60 6.73 -47.11 3 1 1 28 222.327 2
Hi High (pH 8-9.5) 1.60 6.42 -2.76 2 1 0 26 221.319 2

Activity (Go SEA)

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