UCSF

ZINC35698124

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 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) 1.48 6.52 -18.1 2 5 0 67 317.395 2
Mid Mid (pH 6-8) 1.94 5.24 -45.64 1 5 -1 70 316.387 2

Activity (Go SEA)

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