UCSF

ZINC34684110

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 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) 2.15 9.33 -94.43 3 6 2 54 398.551 8
Mid Mid (pH 6-8) 2.15 9.31 -91.7 3 6 2 54 398.551 8
Mid Mid (pH 6-8) 2.15 7.06 -40.66 2 6 1 53 397.543 8

Activity (Go SEA)

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