UCSF

ZINC37256794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 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) 0.42 1.93 -4.88 1 5 0 72 210.233 1
Mid Mid (pH 6-8) 0.87 -0.75 -35.58 0 5 -1 75 209.225 1

Activity (Go SEA)

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