UCSF

ZINC44675794

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 20 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) 2.47 8.36 -43.9 4 2 1 43 267.396 6
Mid Mid (pH 6-8) 2.47 8.67 -136.13 5 2 2 44 268.404 6
Mid Mid (pH 6-8) 2.47 7.49 -41.46 4 2 1 40 267.396 6

Activity (Go SEA)

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