UCSF

ZINC21918075

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 27 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) 3.41 8.63 -13.27 1 6 0 75 385.489 7
Lo Low (pH 4.5-6) 3.41 10.95 -61.7 2 6 1 76 386.497 7

Activity (Go SEA)

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