UCSF

ZINC43315937

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 27 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) 4.92 12.09 -43.01 3 4 1 46 366.529 5
Hi High (pH 8-9.5) 4.92 9.84 -8.21 2 4 0 44 365.521 5

Activity (Go SEA)

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