UCSF

ZINC40111468

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 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) -0.38 1.08 -59.85 1 10 -1 140 472.499 7
Lo Low (pH 4.5-6) -0.38 0.32 -19.23 2 10 0 137 473.507 7

Activity (Go SEA)

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