UCSF

ZINC34695196

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 3.32 9.76 -20.75 1 8 0 92 527.474 9
Hi High (pH 8-9.5) 3.13 8.63 -48.59 0 8 -1 98 526.466 9

Activity (Go SEA)

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