UCSF

ZINC11535900

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 14 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) 2.57 6.16 -27.93 1 2 1 27 183.234 2
Ref Reference (pH 7) 2.57 7.23 -29.34 1 2 1 27 183.234 2
Mid Mid (pH 6-8) 2.57 6.14 -7.92 0 2 0 25 182.226 2
Mid Mid (pH 6-8) 2.57 7.19 -7.06 0 2 0 25 182.226 2

Activity (Go SEA)

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