UCSF

ZINC57607045

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 28 Yes

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) 2.00 6.45 -14.12 0 7 0 66 385.464 4
Lo Low (pH 4.5-6) 2.00 8.62 -47.63 1 7 1 67 386.472 4

Activity (Go SEA)

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