UCSF

ZINC19726031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 22 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) 1.92 4.02 -42.28 2 4 1 32 304.458 4
Lo Low (pH 4.5-6) 1.92 6.28 -101.6 3 4 2 34 305.466 4

Activity (Go SEA)

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