UCSF

ZINC34870664

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 28 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) 3.94 8.53 -12.76 1 6 0 71 462.369 5
Lo Low (pH 4.5-6) 0.27 9.49 -38.43 2 6 1 70 463.377 6

Activity (Go SEA)

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