UCSF

ZINC21630422

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 24 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) 2.14 4.2 -48.71 2 7 1 68 332.428 7
Hi High (pH 8-9.5) 2.14 1.89 -8.89 1 7 0 67 331.42 7
Mid Mid (pH 6-8) 2.14 4.2 -42.09 2 7 1 68 332.428 7

Activity (Go SEA)

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