UCSF

ZINC36802681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) 0.31 2.18 -48.52 2 6 1 72 227.288 6
Mid Mid (pH 6-8) 0.31 -0.08 -14.83 1 6 0 71 226.28 6

Activity (Go SEA)

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