UCSF

ZINC21815018

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 Yes

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) 5.40 9.6 -4.54 1 1 0 12 330.205 5
Lo Low (pH 4.5-6) 5.40 10.87 -51.83 2 1 1 17 331.213 5

Activity (Go SEA)

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