UCSF

ZINC20813247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 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) 3.68 6.69 -8.95 2 4 0 62 367.499 2
Lo Low (pH 4.5-6) 3.68 7.15 -40.96 3 4 1 64 368.507 2

Activity (Go SEA)

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