UCSF

ZINC36640647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 4.70 11.36 -51.95 1 5 1 47 420.505 8
Hi High (pH 8-9.5) 4.70 9.26 -10.82 0 5 0 46 419.497 8

Activity (Go SEA)

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