UCSF

ZINC37110206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 0.20 3.21 -34.47 2 4 1 37 214.333 4
Mid Mid (pH 6-8) 0.20 4.51 -95.28 3 4 2 41 215.341 4

Activity (Go SEA)

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