UCSF

ZINC31958859

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 1.66 5.38 -62.85 4 5 1 74 299.329 3
Mid Mid (pH 6-8) 1.66 4.99 -17.44 3 5 0 72 298.321 3
Lo Low (pH 4.5-6) 1.66 5.8 -96.56 5 5 2 75 300.337 3

Activity (Go SEA)

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