UCSF

ZINC30726255

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 34 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) 3.27 6.46 -43.89 4 7 1 85 453.522 1
Mid Mid (pH 6-8) 3.27 5.11 -22.11 3 7 0 80 452.514 1

Activity (Go SEA)

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