UCSF

ZINC18266015

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 23 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) 3.38 2.96 -9.32 3 6 0 95 439.063 2
Ref Reference (pH 7) 3.38 2.81 -14.17 3 6 0 95 439.063 2
Mid Mid (pH 6-8) 3.83 1.21 -39.31 2 6 -1 98 438.055 2
Mid Mid (pH 6-8) 3.83 0.9 -48.83 2 6 -1 98 438.055 2

Activity (Go SEA)

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