UCSF

ZINC44121205

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 1.43 5.64 -102.26 3 4 2 38 278.396 2
Hi High (pH 8-9.5) 1.43 3.41 -37.21 2 4 1 37 277.388 2
Mid Mid (pH 6-8) 1.43 3.24 -37.21 2 4 1 37 277.388 2

Activity (Go SEA)

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