UCSF

ZINC13831140

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 20 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) 3.32 7.2 -29.45 1 3 1 22 286.786 0
Mid Mid (pH 6-8) 3.32 6.8 -8.5 0 3 0 21 285.778 0
Lo Low (pH 4.5-6) 3.32 9.58 -92.7 2 3 2 24 287.794 0

Activity (Go SEA)

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