UCSF

ZINC40125310

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 24 No

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) 3.48 6.47 -51.04 1 4 -1 69 389.2 3
Lo Low (pH 4.5-6) 3.48 5.7 -10.97 2 4 0 66 390.208 3

Activity (Go SEA)

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