UCSF

ZINC34643152

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 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) 5.76 11.82 -42.42 3 7 1 85 460.533 7
Hi High (pH 8-9.5) 5.76 9.39 -10.95 2 7 0 83 459.525 7

Activity (Go SEA)

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