UCSF

ZINC04191523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 33 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) 3.03 -0.3 -16.49 1 8 0 87 444.491 8
Lo Low (pH 4.5-6) 3.03 -0.19 -52.87 2 8 1 88 445.499 8

Activity (Go SEA)

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