UCSF

ZINC34549537

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 36 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) 6.18 18.68 -40.1 1 4 1 38 482.692 11
Hi High (pH 8-9.5) 6.18 17.07 -10.71 0 4 0 36 481.684 11

Activity (Go SEA)

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