UCSF

ZINC43903713

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.21 8.61 -126.65 3 4 2 40 292.423 6
Mid Mid (pH 6-8) 3.21 7.62 -36.25 2 4 1 35 291.415 6
Mid Mid (pH 6-8) 3.21 6.78 -40.26 2 4 1 38 291.415 6

Activity (Go SEA)

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