UCSF

ZINC44676350

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 14 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) 2.44 6.67 -56.11 0 4 -1 57 254.063 1
Lo Low (pH 4.5-6) 2.44 7.12 -32.27 1 4 0 59 255.071 1

Activity (Go SEA)

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