UCSF

ZINC43526368

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 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) 3.22 9.03 -127.53 3 3 2 30 288.435 6
Mid Mid (pH 6-8) 3.22 6.93 -43.41 2 3 1 29 287.427 6

Activity (Go SEA)

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