UCSF

ZINC40125446

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 23 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) 1.38 4.04 -52.15 1 5 -1 82 311.292 3
Lo Low (pH 4.5-6) 1.38 3.27 -12.43 2 5 0 79 312.3 3

Activity (Go SEA)

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