UCSF

ZINC36162846

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) -0.04 2.89 -51.59 2 6 1 72 287.409 4
Hi High (pH 8-9.5) -0.04 1.51 -12.38 1 6 0 67 286.401 4

Activity (Go SEA)

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