UCSF

ZINC44518000

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) 0.50 8.77 -107.56 3 4 2 39 238.379 6
Mid Mid (pH 6-8) 0.50 9.28 -164.38 4 4 3 40 239.387 6

Activity (Go SEA)

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