UCSF

ZINC34142169

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 20 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) -1.38 -1.12 -45.55 6 7 1 115 287.384 7
Mid Mid (pH 6-8) -1.38 -1.43 -11.42 5 7 0 113 286.376 7

Activity (Go SEA)

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