UCSF

ZINC36881260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.01 4.64 -45.23 1 4 1 42 269.818 5
Hi High (pH 8-9.5) 1.01 2 -11.69 0 4 0 41 268.81 5

Activity (Go SEA)

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