UCSF

ZINC13990006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 24 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) 3.77 10.18 -5.43 0 2 0 16 320.411 7
Lo Low (pH 4.5-6) 3.77 12.64 -101.66 2 2 2 19 322.427 7

Activity (Go SEA)

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