UCSF

ZINC45696531

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) 0.20 3.61 -94.94 3 6 2 62 294.465 7
Hi High (pH 8-9.5) 0.20 1.17 -47.58 2 6 1 60 293.457 7

Activity (Go SEA)

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