UCSF

ZINC41531322

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 2.19 9.76 -51.33 2 5 1 51 307.443 4
Hi High (pH 8-9.5) 2.19 7.29 -11.33 1 5 0 50 306.435 4

Activity (Go SEA)

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