UCSF

ZINC39753665

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 26 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) 2.30 7.57 -17.85 1 7 0 81 391.522 6
Lo Low (pH 4.5-6) 2.30 8.71 -38.93 2 7 1 83 392.53 6

Activity (Go SEA)

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