UCSF

ZINC34617228

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 12 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) -5.80 5.17 -95.68 2 3 2 26 171.288 2
Lo Low (pH 4.5-6) -5.80 5.57 -196.27 3 3 3 28 172.296 2

Activity (Go SEA)

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