UCSF

ZINC42167819

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 2.11 1.4 -44.21 4 6 1 92 316.378 5
Mid Mid (pH 6-8) 2.11 1.6 -63.44 3 6 0 94 315.37 5

Activity (Go SEA)

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