UCSF

ZINC22270180

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 25 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) 3.70 11.47 -13.55 0 5 0 52 368.487 4
Lo Low (pH 4.5-6) 3.70 11.92 -39.18 1 5 1 53 369.495 4

Activity (Go SEA)

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