UCSF

ZINC42447178

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 3.31 7.93 -51.13 1 3 1 52 234.367 4
Mid Mid (pH 6-8) 3.31 6.34 -10.6 0 3 0 51 233.359 4

Activity (Go SEA)

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