UCSF

ZINC36360913

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 24 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) 3.86 7.51 -12.56 1 4 0 49 359.52 3
Ref Reference (pH 7) 3.67 9.95 -12.44 1 4 0 45 359.52 3

Activity (Go SEA)

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