UCSF

ZINC00981250

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 29 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) 3.89 8.8 -40.8 0 6 -1 76 429.905 5
Lo Low (pH 4.5-6) 3.44 9.85 -11.76 1 6 0 73 430.913 5

Activity (Go SEA)

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