UCSF

ZINC45699747

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) 1.13 6.82 -167.05 5 4 3 46 276.489 12
Hi High (pH 8-9.5) 1.13 5.47 -73.25 4 4 2 41 275.481 12
Mid Mid (pH 6-8) 1.13 7.25 -89.85 4 4 2 49 275.481 12

Activity (Go SEA)

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