UCSF

ZINC29478020

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 27 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) 2.05 7.47 -12.67 2 7 0 101 410.81 5
Hi High (pH 8-9.5) 1.81 7 -53.88 1 7 -1 104 409.802 6

Activity (Go SEA)

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