UCSF

ZINC45650478

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 3.13 8.6 -117.23 3 2 2 21 299.256 4
Hi High (pH 8-9.5) 3.13 5.07 -2.05 1 2 0 15 297.24 4
Mid Mid (pH 6-8) 3.13 7.43 -33.37 2 2 1 16 298.248 4
Lo Low (pH 4.5-6) 3.13 6.25 -44.18 2 2 1 20 298.248 4

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