UCSF

ZINC36352720

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 23 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) 2.50 4.16 -11.95 1 5 0 58 333.388 2
Ref Reference (pH 7) 2.32 6.66 -10.55 1 5 0 54 333.388 2

Activity (Go SEA)

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