UCSF

ZINC17188229

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 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) 2.41 7.9 -41.78 0 4 -1 53 265.376 9
Hi High (pH 8-9.5) 2.41 8.38 -112.78 0 4 -2 53 264.368 9
Mid Mid (pH 6-8) 2.41 7.43 -3.9 0 4 0 53 266.384 9

Activity (Go SEA)

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