UCSF

ZINC34679325

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 3.18 9.92 -18.64 1 7 0 85 455.514 9
Lo Low (pH 4.5-6) 3.18 10.38 -51.22 2 7 1 86 456.522 9

Activity (Go SEA)

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