UCSF

ZINC34864302

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 5.78 12.95 -13.1 1 6 0 71 508.043 8
Lo Low (pH 4.5-6) 2.11 13.81 -41.87 2 6 1 70 509.051 9

Activity (Go SEA)

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