UCSF

ZINC20238502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 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) 4.82 10.24 -51.21 0 7 -1 97 469.498 5
Lo Low (pH 4.5-6) 4.36 12.01 -16.25 1 7 0 94 470.506 5

Activity (Go SEA)

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