UCSF

ZINC41531714

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 Yes

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) 1.95 5.44 -57.08 1 5 0 66 323.443 4
Hi High (pH 8-9.5) 1.95 3.16 -46.71 0 5 -1 64 322.435 4
Hi High (pH 8-9.5) 2.87 3.71 -11.99 1 5 0 66 323.443 3
Lo Low (pH 4.5-6) 2.87 6.01 -55.39 2 5 1 67 324.451 3

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