UCSF

ZINC25971153

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 26 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) 2.37 7.54 -38.42 3 6 1 66 350.446 4
Hi High (pH 8-9.5) 2.37 7.23 -17.07 2 6 0 64 349.438 4

Activity (Go SEA)

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