UCSF

ZINC34841041

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 28 Yes

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) 3.65 8.9 -15 4 8 0 108 373.42 6
Lo Low (pH 4.5-6) 3.65 9.23 -51.17 5 8 1 109 374.428 6

Activity (Go SEA)

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