UCSF

ZINC37043184

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 0.52 6.01 -84.86 4 5 0 97 284.315 4
Mid Mid (pH 6-8) 0.52 5.68 -64.3 3 5 -1 95 283.307 4

Activity (Go SEA)

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