UCSF

ZINC00317182

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.62 1.24 -101.02 2 3 2 21 289.467 3
Lo Low (pH 4.5-6) 2.62 1.3 -189.94 3 3 3 23 290.475 3

Activity (Go SEA)

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