UCSF

ZINC41542301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 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) 3.49 11.47 -67.16 1 5 0 65 410.901 6
Lo Low (pH 4.5-6) 3.49 10.71 -49.15 2 5 1 62 411.909 6

Activity (Go SEA)

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