UCSF

ZINC35698507

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) 3.13 9.55 -9.74 1 3 0 38 320.414 2
Mid Mid (pH 6-8) 3.59 8.42 -37.31 0 3 -1 41 319.406 2

Activity (Go SEA)

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