UCSF

ZINC45696374

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) 0.92 3.02 -41.36 3 5 1 68 255.338 8
Hi High (pH 8-9.5) 0.92 2 -9.27 2 5 0 63 254.33 8

Activity (Go SEA)

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