UCSF

ZINC36369883

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 35 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) 4.42 14.39 -68.54 1 6 1 62 478.609 7
Hi High (pH 8-9.5) 4.42 12.11 -20.99 0 6 0 61 477.601 7

Activity (Go SEA)

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