UCSF

ZINC36360366

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 3.07 4.07 -13.37 1 8 0 95 399.838 4
Ref Reference (pH 7) 2.88 6.82 -12.01 1 8 0 91 399.838 4

Activity (Go SEA)

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