UCSF

ZINC49877427

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 51 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 10.47 33.79 -51.06 1 4 -1 69 737.297 45
Lo Low (pH 4.5-6) 10.47 31.81 -12.82 2 4 0 66 738.305 45

Activity (Go SEA)

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