UCSF

ZINC31934917

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.73 4.88 -46.78 3 4 1 59 295.409 4
Hi High (pH 8-9.5) 0.73 4.51 -11.29 2 4 0 57 294.401 4

Activity (Go SEA)

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