UCSF

ZINC43903158

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) 2.33 8.4 -119.95 3 4 2 40 292.423 5
Mid Mid (pH 6-8) 2.33 7.35 -33.99 2 4 1 35 291.415 5
Mid Mid (pH 6-8) 2.33 6.51 -36.93 2 4 1 38 291.415 5

Activity (Go SEA)

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