UCSF

ZINC00194049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 21 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) 2.52 7.99 -50.11 2 4 1 43 295.378 6
Hi High (pH 8-9.5) 2.70 5.45 -43.24 1 4 0 49 294.37 6

Activity (Go SEA)

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