UCSF

ZINC38718475

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 30 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) 4.01 7.83 -22.68 1 7 0 82 445.566 8
Mid Mid (pH 6-8) 4.01 8.3 -69.19 0 7 -1 85 444.558 8
Lo Low (pH 4.5-6) 4.01 8.27 -39.85 2 7 1 84 446.574 8

Activity (Go SEA)

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