UCSF

ZINC36097828

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.00 9.33 -48.81 2 5 1 54 400.465 7
Hi High (pH 8-9.5) 3.00 7.29 -12.18 1 5 0 53 399.457 7

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

No pre-computed analogs available. Try a structural similarity search.