UCSF

ZINC37052263

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) -0.77 3.15 -10.45 2 4 0 70 266.098 1
Lo Low (pH 4.5-6) -0.77 3.45 -54.33 3 4 1 72 267.106 1

Activity (Go SEA)

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