UCSF

ZINC04382502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 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) 4.60 9.27 -11.56 2 4 0 58 396.556 8
Mid Mid (pH 6-8) 4.60 9.72 -31.47 3 4 1 60 397.564 8

Activity (Go SEA)

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