UCSF

ZINC49023980

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 3.52 9.37 -126.78 4 2 2 32 276.468 5
Hi High (pH 8-9.5) 3.52 9.32 -29.27 3 2 1 30 275.46 5
Mid Mid (pH 6-8) 3.52 7.19 -43.13 3 2 1 31 275.46 5

Activity (Go SEA)

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