UCSF

ZINC45701926

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) -0.54 2.06 -47.09 3 6 1 82 264.342 13
Hi High (pH 8-9.5) -0.54 0.65 -9.25 2 6 0 77 263.334 13

Activity (Go SEA)

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