UCSF

ZINC61820187

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 1.87 6.1 -4.58 3 4 0 62 247.342 2
Lo Low (pH 4.5-6) 1.87 5.15 -31.54 4 4 1 63 248.35 2

Activity (Go SEA)

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