UCSF

ZINC35698331

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 3.18 9.11 -14.13 1 3 0 38 288.397 2
Mid Mid (pH 6-8) 3.63 7.8 -44.81 0 3 -1 41 287.389 2

Activity (Go SEA)

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