UCSF

ZINC34396867

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2009 21 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) 2.29 3.89 -58.99 0 6 -1 79 282.279 2
Lo Low (pH 4.5-6) 2.29 4.15 -23.23 1 6 0 81 283.287 2

Activity (Go SEA)

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