UCSF

ZINC34426119

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 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) 4.46 12.05 -16.39 1 7 0 97 391.427 7
Lo Low (pH 4.5-6) 4.46 12.52 -44.59 2 7 1 98 392.435 7

Activity (Go SEA)

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