UCSF

ZINC74932910

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2012 22 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) 1.87 8.57 -11.62 0 4 0 36 297.402 6
Lo Low (pH 4.5-6) 1.87 9.02 -38.62 1 4 1 38 298.41 6

Activity (Go SEA)

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