UCSF

ZINC34984842

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 No

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) 3.53 7.86 -55.39 3 7 1 81 505.701 9
Hi High (pH 8-9.5) 3.53 6.1 -11.42 2 7 0 80 504.693 9
Mid Mid (pH 6-8) 3.53 8.69 -107.08 4 7 2 86 506.709 9

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