UCSF

ZINC45702662

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) -0.34 2.29 -47.51 3 6 1 82 276.353 11
Hi High (pH 8-9.5) -0.34 0.95 -10.03 2 6 0 77 275.345 11

Activity (Go SEA)

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