UCSF

ZINC36233237

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 Yes

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) 0.86 0 -57.57 2 5 0 78 269.298 3
Hi High (pH 8-9.5) 0.86 -1.38 -37.69 1 5 -1 73 268.29 3
Mid Mid (pH 6-8) 1.79 0.52 -60.72 3 5 1 79 270.306 2
Mid Mid (pH 6-8) 1.79 -0.87 -12.02 2 5 0 74 269.298 2

Activity (Go SEA)

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