UCSF

ZINC27820469

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 23 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) 2.39 7.9 -14.52 0 5 0 46 331.441 4
Mid Mid (pH 6-8) 2.39 8.3 -37.46 1 5 1 47 332.449 4

Activity (Go SEA)

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