UCSF

ZINC45626699

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) -1.47 -1.08 -49.04 4 5 1 77 224.284 1
Hi High (pH 8-9.5) -1.28 -1.46 -35.28 3 5 0 83 223.276 1
Hi High (pH 8-9.5) -1.28 -3.62 -71.11 3 5 0 83 223.276 1

Activity (Go SEA)

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