UCSF

ZINC45626696

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 No

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) -0.56 1.66 -44.46 3 5 1 66 238.311 2
Hi High (pH 8-9.5) -0.37 -0.95 -63.46 2 5 0 72 237.303 2
Mid Mid (pH 6-8) -0.37 -1.15 -85.11 3 5 1 74 238.311 2

Activity (Go SEA)

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