UCSF

ZINC36359878

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 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) 3.80 7.77 -27.11 2 5 1 58 356.405 1
Ref Reference (pH 7) 3.62 9.14 -15.56 1 5 0 53 355.397 1

Activity (Go SEA)

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