UCSF

ZINC43425623

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.34 0.66 -5.54 3 5 0 71 241.335 3
Mid Mid (pH 6-8) 1.34 2.79 -37.42 4 5 1 72 242.343 3

Activity (Go SEA)

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