UCSF

ZINC36321929

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 24 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) 4.46 9.26 -10.68 1 3 0 38 318.351 3
Lo Low (pH 4.5-6) 4.46 9.79 -29.76 2 3 1 39 319.359 3

Activity (Go SEA)

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