UCSF

ZINC27670162

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 32 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) 3.24 6.86 -14.83 1 7 0 77 472.636 8
Lo Low (pH 4.5-6) 3.24 9.05 -56.63 2 7 1 78 473.644 8

Activity (Go SEA)

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