UCSF

ZINC25137388

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 25 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) 1.46 6.82 -46.49 1 6 1 62 368.523 5
Mid Mid (pH 6-8) 1.46 4.45 -11.24 0 6 0 61 367.515 5

Activity (Go SEA)

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