UCSF

ZINC30672887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 20 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) 3.10 8.12 -25.99 1 4 0 50 301.396 1
Mid Mid (pH 6-8) 3.83 6.73 -64.39 0 4 -1 47 300.388 1
Mid Mid (pH 6-8) 3.83 6.33 -60.56 0 4 -1 47 300.388 1

Activity (Go SEA)

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