UCSF

ZINC22014628

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 2.07 3.03 -14.36 1 7 0 87 371.503 5
Lo Low (pH 4.5-6) 2.07 5.26 -51.89 2 7 1 88 372.511 5

Activity (Go SEA)

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