UCSF

ZINC36628652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 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) 4.23 9.58 -11.82 1 6 0 75 443.528 5
Lo Low (pH 4.5-6) 4.23 11.85 -51.19 2 6 1 76 444.536 5

Activity (Go SEA)

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