UCSF

ZINC35697691

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 No

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) 0.71 4.16 -15.85 3 5 0 81 295.389 2
Hi High (pH 8-9.5) 1.16 2.94 -45.49 2 5 -1 84 294.381 2

Activity (Go SEA)

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