UCSF

ZINC33725401

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 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) 4.15 10.63 -20.43 1 6 0 66 402.498 6
Lo Low (pH 4.5-6) 4.15 11.01 -43.97 2 6 1 67 403.506 6

Activity (Go SEA)

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