UCSF

ZINC45495665

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2010 25 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) 5.89 5.06 -9.99 3 4 0 78 358.821 5
Hi High (pH 8-9.5) 5.89 5.82 -43.76 2 4 -1 81 357.813 5

Activity (Go SEA)

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