UCSF

ZINC37048217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 3.33 10.76 -97.24 3 2 2 21 276.468 4
Hi High (pH 8-9.5) 3.33 10.03 -31.11 2 2 1 16 275.46 4
Hi High (pH 8-9.5) 3.33 8.8 -34.55 2 2 1 20 275.46 4

Activity (Go SEA)

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