UCSF

ZINC21004529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 28 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) 3.37 9.57 -12.97 2 5 0 71 373.456 7
Lo Low (pH 4.5-6) 3.37 10.01 -49.83 3 5 1 72 374.464 7

Activity (Go SEA)

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