UCSF

ZINC31909527

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.47 8.66 -43.03 3 4 1 48 281.383 3
Mid Mid (pH 6-8) 2.47 6.11 -11.84 2 4 0 47 280.375 3
Lo Low (pH 4.5-6) 2.47 9.1 -88.54 4 4 2 49 282.391 3

Activity (Go SEA)

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