UCSF

ZINC31977944

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 3.15 9.43 -39.53 1 4 1 34 317.453 4
Mid Mid (pH 6-8) 3.15 6.97 -10.17 0 4 0 33 316.445 4
Mid Mid (pH 6-8) 3.15 9.24 -29.82 1 4 1 34 317.453 4

Activity (Go SEA)

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