UCSF

ZINC18061673

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 28 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) 2.55 6.44 -63.28 1 6 -1 94 374.372 5
Mid Mid (pH 6-8) 1.97 7.21 -23.28 1 6 0 88 375.38 5
Mid Mid (pH 6-8) 2.55 6.52 -13.56 2 6 0 91 375.38 5

Activity (Go SEA)

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