UCSF

ZINC44269370

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) 5.38 10.06 -26.02 3 3 1 45 306.861 6
Mid Mid (pH 6-8) 5.38 9.94 -6.36 2 3 0 44 305.853 6

Activity (Go SEA)

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