UCSF

ZINC43456033

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.09 3.65 -35.76 4 4 1 60 270.441 9
Mid Mid (pH 6-8) 2.09 3.42 -46.26 4 4 1 63 270.441 9
Mid Mid (pH 6-8) 2.09 4.99 -102.74 5 4 2 64 271.449 9

Activity (Go SEA)

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