UCSF

ZINC34537373

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) 3.52 10.98 -51.91 1 6 1 70 412.416 4
Hi High (pH 8-9.5) 3.52 8.74 -16.08 0 6 0 68 411.408 4

Activity (Go SEA)

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