UCSF

ZINC35472007

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 25 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) 1.99 6.84 -14.58 1 6 0 66 354.435 4
Lo Low (pH 4.5-6) 1.99 7.19 -45.21 2 6 1 67 355.443 4

Activity (Go SEA)

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