UCSF

ZINC10112397

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 30 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) 5.15 9.23 -54.24 1 5 -1 77 441.96 6
Mid Mid (pH 6-8) 5.15 8.79 -15.32 2 5 0 75 442.968 6

Activity (Go SEA)

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