UCSF

ZINC29481885

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 41 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) 6.05 17.45 -97.19 2 6 2 36 563.737 11
Hi High (pH 8-9.5) 6.05 14.93 -46.51 1 6 1 34 562.729 11

Activity (Go SEA)

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