UCSF

ZINC36357825

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 29 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) 3.95 5.59 -11.12 1 7 0 85 423.782 4
Ref Reference (pH 7) 3.77 8.29 -10.43 1 7 0 82 423.782 4

Activity (Go SEA)

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