UCSF

ZINC25497413

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 5.19 12.18 -13.74 2 5 0 71 370.456 4
Hi High (pH 8-9.5) 5.64 10.49 -52.95 1 5 -1 74 369.448 4
Mid Mid (pH 6-8) 5.19 12.6 -43.98 3 5 1 72 371.464 4

Activity (Go SEA)

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