UCSF

ZINC45698395

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 0.23 6.94 -175.09 4 4 3 40 213.349 7
Hi High (pH 8-9.5) 0.23 5.12 -40.15 2 4 1 34 211.333 7
Hi High (pH 8-9.5) 0.23 5.59 -73.1 3 4 2 36 212.341 7
Mid Mid (pH 6-8) 0.23 6.49 -98.41 3 4 2 39 212.341 7

Activity (Go SEA)

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