UCSF

ZINC49523146

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 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) 1.32 6.6 -19.7 1 8 0 92 378.436 4
Lo Low (pH 4.5-6) 1.32 7.04 -40.03 2 8 1 94 379.444 4

Activity (Go SEA)

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