UCSF

ZINC43435010

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.74 4.94 -99.04 4 5 2 68 276.421 11
Hi High (pH 8-9.5) 1.74 4.58 -30.67 2 5 0 66 274.405 11
Mid Mid (pH 6-8) 1.74 4.04 -33.8 3 5 1 63 275.413 11

Activity (Go SEA)

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