UCSF

ZINC45628276

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) -0.73 4.92 -34.08 3 4 0 77 223.272 7
Hi High (pH 8-9.5) -0.73 4.54 -41.41 2 4 -1 75 222.264 7

Activity (Go SEA)

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