UCSF

ZINC43443910

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.96 5.18 -59.5 3 6 1 92 269.321 9
Hi High (pH 8-9.5) 1.96 3.81 -13.63 2 6 0 87 268.313 9

Activity (Go SEA)

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