UCSF

ZINC43704372

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 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) 1.38 4.19 -51.58 1 6 -1 82 342.169 4
Mid Mid (pH 6-8) 1.38 6.4 -54.1 2 6 0 83 343.177 4

Activity (Go SEA)

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