UCSF

ZINC34874124

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 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) 1.92 7.55 -26.76 2 8 0 114 429.432 6
Hi High (pH 8-9.5) 1.92 8.33 -57.75 1 8 -1 117 428.424 6

Activity (Go SEA)

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