UCSF

ZINC45226941

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 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) 6.11 14.13 -48.04 3 4 1 55 468.617 13
Hi High (pH 8-9.5) 6.11 12.76 -8.27 2 4 0 51 467.609 13

Activity (Go SEA)

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