UCSF

ZINC22043859

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 15 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) 1.15 1.19 -45.94 3 3 1 40 247.771 3
Lo Low (pH 4.5-6) 1.15 3.53 -127.76 4 3 2 41 248.779 3
Lo Low (pH 4.5-6) 1.15 2.14 -41.58 3 3 1 37 247.771 3

Activity (Go SEA)

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