UCSF

ZINC74923932

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2012 19 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) 1.80 8.27 -10.89 0 3 0 33 254.333 5
Lo Low (pH 4.5-6) 1.80 8.73 -37.98 1 3 1 34 255.341 5

Activity (Go SEA)

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