UCSF

ZINC42428053

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 0.64 3.1 -32.8 2 4 1 35 231.36 8
Hi High (pH 8-9.5) 0.64 0.78 -3.84 1 4 0 34 230.352 8
Mid Mid (pH 6-8) 0.64 2.19 -36.25 2 4 1 38 231.36 8
Lo Low (pH 4.5-6) 0.64 4.51 -107.78 3 4 2 40 232.368 8

Activity (Go SEA)

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