UCSF

ZINC29379841

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.55 7.58 -21.37 2 7 0 89 439.324 7
Mid Mid (pH 6-8) 4.55 7.42 -45.57 1 7 -1 87 438.316 7

Activity (Go SEA)

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