UCSF

ZINC41131828

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.80 5.7 -9.35 0 4 0 33 290.407 4
Mid Mid (pH 6-8) 2.80 8.06 -46.53 1 4 1 34 291.415 4

Activity (Go SEA)

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