UCSF

ZINC39899479

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 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) 3.73 10.05 -70.03 1 6 -1 103 374.372 3
Lo Low (pH 4.5-6) 3.73 8.72 -18.43 2 6 0 101 375.38 3

Activity (Go SEA)

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