UCSF

ZINC01527722

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2004 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) 4.92 10.74 -13.07 0 3 0 34 278.355 3
Lo Low (pH 4.5-6) 4.92 11.15 -31.26 1 3 1 36 279.363 3

Activity (Go SEA)

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