UCSF

ZINC36415690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2009 23 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) 2.84 8.68 -52.88 3 5 1 62 315.441 6
Lo Low (pH 4.5-6) 2.84 9.17 -88.9 4 5 2 63 316.449 6

Activity (Go SEA)

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