UCSF

ZINC13347289

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 35 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) 2.05 7.54 -60.61 1 10 0 114 497.577 8
Hi High (pH 8-9.5) 2.05 5.23 -53.7 0 10 -1 112 496.569 8
Mid Mid (pH 6-8) 2.23 6.51 -23.41 1 10 0 106 497.577 8

Activity (Go SEA)

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