UCSF

ZINC43704778

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 Yes

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) 1.88 4.68 -48.75 1 6 -1 82 332.163 4
Mid Mid (pH 6-8) 1.88 6.91 -51.67 2 6 0 83 333.171 4

Activity (Go SEA)

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