UCSF

ZINC52576292

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 14 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) 1.41 7.29 -94.48 3 3 2 36 197.326 5
Hi High (pH 8-9.5) 1.41 6.81 -43.19 2 3 1 34 196.318 5

Activity (Go SEA)

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