UCSF

ZINC36366737

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) 2.19 3.91 -19.32 3 7 0 101 386.477 5
Ref Reference (pH 7) 2.00 6.34 -17.85 3 7 0 98 386.477 5

Activity (Go SEA)

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